Results 21 to 30 of about 4,705,565 (247)
Huli yanjiu, 2023 This study introduced the application status of screening tools based on virtual reality technology in the elderly with mild cognitive impairment at home and abroad，and analyzed the advantages and disadvantages of screening tools based on virtual reality
LI Yucan +6 more
doaj
Discovery of Immunoproteasome Inhibitors Using Large-Scale Covalent Virtual Screening
Molecules, 2019 Large-scale virtual screening of boronic acid derivatives was performed to identify nonpeptidic covalent inhibitors of the β5i subunit of the immunoproteasome. A hierarchical virtual screening cascade including noncovalent and covalent docking steps
Andrea Scarpino +7 more
doaj +1 more source
VSFlow: an open-source ligand-based virtual screening tool
Journal of Cheminformatics, 2023 Ligand-based virtual screening is a widespread method in modern drug design. It allows for a rapid screening of large compound databases in order to identify similar structures.
Sascha Jung +2 more
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Anticipated regret to increase uptake of colorectal cancer screening (ARTICS):a randomised controlled trial [PDF]
, 2015 Screening is important for early detection of colorectal cancer. Our aim was to determine whether a simple anticipated regret (AR) intervention could increase uptake of colorectal cancer screening. A randomised controlled trial of a simple, questionnaire-
Brownlee, Linda A. +9 more
core +1 more source
METHODS FOR SIMILARITY-BASED VIRTUAL SCREENING
Computational and Structural Biotechnology Journal, 2013 Developing new medical drugs is expensive. Among the first steps is a screening process, in which molecules in existing chemical libraries are tested for activity against a given target. This requires a lot of resources and manpower.
Thomas G. Kristensen +2 more
doaj +3 more sources
Citation: 'virtual screening' in the IUPAC Compendium of Chemical Terminology, 5th ed.; International Union of Pure and Applied Chemistry; 2025. Online version 5.0.0, 2025. 10.1351/goldbook.11533 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for individual terms.
N. Yellasubbaiah +2 more
+5 more sources
Adapting Document Similarity Measures for Ligand-Based Virtual Screening
Molecules, 2016 Quantifying the similarity of molecules is considered one of the major tasks in virtual screening. There are many similarity measures that have been proposed for this purpose, some of which have been derived from document and text retrieving areas as ...
Mubarak Himmat +4 more
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Molecules, 2022 The urotensin receptor (UT receptor), a G-protein-coupled receptor mediating urotensin-II and urotensin-II-related peptide signaling in the urotensinergic system, has multiple pharmacological activities.
Na Li +9 more
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Multitarget Virtual Screening for Drug Repurposing in COVID19 [PDF]
, 2020 Therapeutic or preventive research for coronavirus SARS-CoV2 is an extremely active topic of research since its outbreak in January 2020. In this paper we report the results from a virtual drug screening analysis that, to the best of our knowledge, is ...
carlos oscar, Sorzano +3 more
core +1 more source
Biomolecules, 2021 Allosteric modulators have emerged with many potential pharmacological advantages as they do not compete the binding of agonist or antagonist to the orthosteric sites but ultimately affect downstream signaling. To identify allosteric modulators targeting
Qingtong Zhou +9 more
doaj +1 more source